USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 130 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 60 CYS SG : rot 180:sc= -1.49! USER MOD Single : A 62 THR OG1 : rot -57:sc= -0.538! USER MOD Single : A 65 THR OG1 : rot -28:sc= -0.731! USER MOD Single : A 68 CYS SG : rot 128:sc= -1.56 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-6.1!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 69.692 7.954 6.450 1.00 1.00 N ATOM 878 CA GLY A 59 69.713 7.898 4.960 1.00 1.00 C ATOM 879 C GLY A 59 69.856 6.446 4.500 1.00 1.00 C ATOM 880 O GLY A 59 70.899 6.032 4.034 1.00 1.00 O ATOM 0 HA2 GLY A 59 68.796 8.328 4.557 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.541 8.494 4.576 1.00 1.00 H new ATOM 884 N CYS A 60 68.813 5.671 4.619 1.00 1.00 N ATOM 885 CA CYS A 60 68.887 4.248 4.181 1.00 1.00 C ATOM 886 C CYS A 60 69.873 3.487 5.071 1.00 1.00 C ATOM 887 O CYS A 60 70.487 2.526 4.650 1.00 1.00 O ATOM 888 CB CYS A 60 69.361 4.188 2.726 1.00 1.00 C ATOM 889 SG CYS A 60 68.820 5.679 1.855 1.00 1.00 S ATOM 0 H CYS A 60 67.913 5.961 5.001 1.00 1.00 H new ATOM 0 HA CYS A 60 67.901 3.792 4.263 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.447 4.106 2.689 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.958 3.301 2.237 1.00 1.00 H new ATOM 0 HG CYS A 60 69.224 5.631 0.620 1.00 1.00 H new ATOM 894 N GLY A 61 70.034 3.904 6.297 1.00 1.00 N ATOM 895 CA GLY A 61 70.984 3.196 7.200 1.00 1.00 C ATOM 896 C GLY A 61 70.713 3.589 8.649 1.00 1.00 C ATOM 897 O GLY A 61 70.530 2.750 9.508 1.00 1.00 O ATOM 0 H GLY A 61 69.551 4.701 6.711 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.878 2.118 7.081 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.010 3.447 6.932 1.00 1.00 H new ATOM 901 N THR A 62 70.693 4.860 8.926 1.00 1.00 N ATOM 902 CA THR A 62 70.443 5.317 10.314 1.00 1.00 C ATOM 903 C THR A 62 71.503 4.725 11.240 1.00 1.00 C ATOM 904 O THR A 62 72.686 4.819 10.988 1.00 1.00 O ATOM 905 CB THR A 62 69.048 4.866 10.761 1.00 1.00 C ATOM 906 OG1 THR A 62 69.103 3.510 11.182 1.00 1.00 O ATOM 907 CG2 THR A 62 68.067 5.001 9.595 1.00 1.00 C ATOM 0 H THR A 62 70.840 5.605 8.245 1.00 1.00 H new ATOM 0 HA THR A 62 70.495 6.405 10.356 1.00 1.00 H new ATOM 0 HB THR A 62 68.712 5.491 11.589 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.443 2.954 10.450 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.076 4.680 9.915 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.025 6.042 9.273 1.00 1.00 H new ATOM 0 HG23 THR A 62 68.400 4.378 8.765 1.00 1.00 H new ATOM 915 N ASP A 63 71.086 4.126 12.310 1.00 1.00 N ATOM 916 CA ASP A 63 72.060 3.528 13.267 1.00 1.00 C ATOM 917 C ASP A 63 72.687 2.269 12.660 1.00 1.00 C ATOM 918 O ASP A 63 73.890 2.098 12.659 1.00 1.00 O ATOM 919 CB ASP A 63 71.337 3.161 14.564 1.00 1.00 C ATOM 920 CG ASP A 63 70.277 2.097 14.275 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.565 2.249 13.296 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.194 1.148 15.038 1.00 1.00 O ATOM 0 H ASP A 63 70.105 4.021 12.570 1.00 1.00 H new ATOM 0 HA ASP A 63 72.847 4.253 13.476 1.00 1.00 H new ATOM 0 HB2 ASP A 63 72.051 2.788 15.298 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.870 4.046 14.996 1.00 1.00 H new ATOM 927 N ILE A 64 71.874 1.379 12.162 1.00 1.00 N ATOM 928 CA ILE A 64 72.404 0.116 11.571 1.00 1.00 C ATOM 929 C ILE A 64 73.297 0.409 10.368 1.00 1.00 C ATOM 930 O ILE A 64 73.854 -0.493 9.778 1.00 1.00 O ATOM 931 CB ILE A 64 71.237 -0.763 11.133 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.356 -1.079 12.343 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.774 -2.067 10.540 1.00 1.00 C ATOM 934 CD1 ILE A 64 68.966 -1.505 11.866 1.00 1.00 C ATOM 0 H ILE A 64 70.859 1.472 12.139 1.00 1.00 H new ATOM 0 HA ILE A 64 72.999 -0.398 12.326 1.00 1.00 H new ATOM 0 HB ILE A 64 70.649 -0.237 10.381 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.807 -1.874 12.937 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.278 -0.204 12.988 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.940 -2.695 10.227 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.403 -1.843 9.678 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.362 -2.593 11.292 1.00 1.00 H new ATOM 0 HD11 ILE A 64 68.339 -1.730 12.728 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.515 -0.697 11.290 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.053 -2.392 11.239 1.00 1.00 H new ATOM 946 N THR A 65 73.444 1.653 10.000 1.00 1.00 N ATOM 947 CA THR A 65 74.308 2.004 8.828 1.00 1.00 C ATOM 948 C THR A 65 75.152 0.806 8.393 1.00 1.00 C ATOM 949 O THR A 65 75.045 0.330 7.281 1.00 1.00 O ATOM 950 CB THR A 65 75.257 3.134 9.216 1.00 1.00 C ATOM 951 OG1 THR A 65 74.552 4.099 9.983 1.00 1.00 O ATOM 952 CG2 THR A 65 75.816 3.791 7.953 1.00 1.00 C ATOM 0 H THR A 65 73.002 2.448 10.461 1.00 1.00 H new ATOM 0 HA THR A 65 73.657 2.306 8.008 1.00 1.00 H new ATOM 0 HB THR A 65 76.080 2.731 9.806 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.605 4.088 9.732 1.00 1.00 H new ATOM 0 HG21 THR A 65 76.494 4.598 8.232 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.357 3.049 7.366 1.00 1.00 H new ATOM 0 HG23 THR A 65 74.996 4.195 7.359 1.00 1.00 H new ATOM 960 N VAL A 66 75.999 0.326 9.270 1.00 1.00 N ATOM 961 CA VAL A 66 76.868 -0.838 8.932 1.00 1.00 C ATOM 962 C VAL A 66 76.146 -1.751 7.940 1.00 1.00 C ATOM 963 O VAL A 66 76.458 -1.771 6.766 1.00 1.00 O ATOM 964 CB VAL A 66 77.185 -1.620 10.208 1.00 1.00 C ATOM 965 CG1 VAL A 66 78.355 -2.570 9.948 1.00 1.00 C ATOM 966 CG2 VAL A 66 77.562 -0.642 11.323 1.00 1.00 C ATOM 0 H VAL A 66 76.125 0.695 10.212 1.00 1.00 H new ATOM 0 HA VAL A 66 77.794 -0.480 8.482 1.00 1.00 H new ATOM 0 HB VAL A 66 76.310 -2.196 10.508 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.580 -3.127 10.857 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.089 -3.266 9.153 1.00 1.00 H new ATOM 0 HG13 VAL A 66 79.231 -1.995 9.648 1.00 1.00 H new ATOM 0 HG21 VAL A 66 77.788 -1.198 12.233 1.00 1.00 H new ATOM 0 HG22 VAL A 66 78.438 -0.067 11.022 1.00 1.00 H new ATOM 0 HG23 VAL A 66 76.729 0.036 11.509 1.00 1.00 H new ATOM 976 N ILE A 67 75.175 -2.497 8.396 1.00 1.00 N ATOM 977 CA ILE A 67 74.429 -3.394 7.459 1.00 1.00 C ATOM 978 C ILE A 67 72.923 -3.312 7.725 1.00 1.00 C ATOM 979 O ILE A 67 72.369 -4.086 8.481 1.00 1.00 O ATOM 980 CB ILE A 67 74.895 -4.846 7.635 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.333 -4.983 7.130 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.984 -5.776 6.833 1.00 1.00 C ATOM 983 CD1 ILE A 67 76.323 -5.244 5.623 1.00 1.00 C ATOM 0 H ILE A 67 74.866 -2.526 9.368 1.00 1.00 H new ATOM 0 HA ILE A 67 74.631 -3.067 6.439 1.00 1.00 H new ATOM 0 HB ILE A 67 74.851 -5.116 8.690 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.894 -4.075 7.349 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.835 -5.800 7.648 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.315 -6.807 6.958 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.959 -5.678 7.190 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.027 -5.507 5.778 1.00 1.00 H new ATOM 0 HD11 ILE A 67 77.347 -5.341 5.264 1.00 1.00 H new ATOM 0 HD12 ILE A 67 75.777 -6.165 5.417 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.837 -4.412 5.113 1.00 1.00 H new ATOM 995 N CYS A 68 72.257 -2.396 7.085 1.00 1.00 N ATOM 996 CA CYS A 68 70.783 -2.270 7.261 1.00 1.00 C ATOM 997 C CYS A 68 70.101 -3.483 6.621 1.00 1.00 C ATOM 998 O CYS A 68 70.582 -4.029 5.648 1.00 1.00 O ATOM 999 CB CYS A 68 70.296 -0.987 6.582 1.00 1.00 C ATOM 1000 SG CYS A 68 70.875 -0.953 4.867 1.00 1.00 S ATOM 0 H CYS A 68 72.673 -1.722 6.442 1.00 1.00 H new ATOM 0 HA CYS A 68 70.538 -2.228 8.322 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.207 -0.939 6.610 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.668 -0.115 7.120 1.00 1.00 H new ATOM 0 HG CYS A 68 69.869 -0.735 4.073 1.00 1.00 H new ATOM 1005 N PRO A 69 68.994 -3.917 7.167 1.00 1.00 N ATOM 1006 CA PRO A 69 68.256 -5.099 6.636 1.00 1.00 C ATOM 1007 C PRO A 69 67.862 -4.934 5.163 1.00 1.00 C ATOM 1008 O PRO A 69 67.841 -5.888 4.412 1.00 1.00 O ATOM 1009 CB PRO A 69 67.009 -5.212 7.531 1.00 1.00 C ATOM 1010 CG PRO A 69 66.914 -3.919 8.275 1.00 1.00 C ATOM 1011 CD PRO A 69 68.326 -3.334 8.339 1.00 1.00 C ATOM 0 HA PRO A 69 68.876 -5.995 6.661 1.00 1.00 H new ATOM 0 HB2 PRO A 69 66.114 -5.384 6.933 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.098 -6.052 8.220 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.235 -3.232 7.770 1.00 1.00 H new ATOM 0 HG3 PRO A 69 66.517 -4.079 9.278 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.312 -2.245 8.292 1.00 1.00 H new ATOM 0 HD3 PRO A 69 68.831 -3.606 9.266 1.00 1.00 H new ATOM 1019 N TRP A 70 67.551 -3.739 4.737 1.00 1.00 N ATOM 1020 CA TRP A 70 67.165 -3.548 3.310 1.00 1.00 C ATOM 1021 C TRP A 70 68.427 -3.503 2.436 1.00 1.00 C ATOM 1022 O TRP A 70 68.501 -2.767 1.473 1.00 1.00 O ATOM 1023 CB TRP A 70 66.362 -2.246 3.151 1.00 1.00 C ATOM 1024 CG TRP A 70 66.772 -1.270 4.206 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.808 -0.406 4.105 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.175 -1.041 5.516 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.887 0.337 5.268 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.902 -0.016 6.169 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.086 -1.616 6.194 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.559 0.422 7.451 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.739 -1.179 7.481 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.472 -0.163 8.109 1.00 1.00 C ATOM 0 H TRP A 70 67.547 -2.895 5.309 1.00 1.00 H new ATOM 0 HA TRP A 70 66.541 -4.383 2.992 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.533 -1.820 2.162 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.295 -2.454 3.229 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.466 -0.312 3.254 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.588 1.058 5.440 1.00 1.00 H new ATOM 0 HE3 TRP A 70 64.513 -2.399 5.721 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.128 1.205 7.930 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 63.901 -1.629 7.992 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.198 0.168 9.100 1.00 1.00 H new ATOM 1043 N GLU A 71 69.416 -4.297 2.760 1.00 1.00 N ATOM 1044 CA GLU A 71 70.666 -4.306 1.942 1.00 1.00 C ATOM 1045 C GLU A 71 71.442 -5.602 2.196 1.00 1.00 C ATOM 1046 O GLU A 71 72.656 -5.619 2.193 1.00 1.00 O ATOM 1047 CB GLU A 71 71.542 -3.107 2.321 1.00 1.00 C ATOM 1048 CG GLU A 71 70.970 -1.833 1.697 1.00 1.00 C ATOM 1049 CD GLU A 71 72.075 -0.782 1.575 1.00 1.00 C ATOM 1050 OE1 GLU A 71 73.177 -1.056 2.021 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.801 0.278 1.038 1.00 1.00 O ATOM 0 H GLU A 71 69.412 -4.938 3.554 1.00 1.00 H new ATOM 0 HA GLU A 71 70.401 -4.243 0.887 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.586 -3.004 3.405 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.563 -3.266 1.975 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.553 -2.053 0.714 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.155 -1.449 2.311 1.00 1.00 H new ATOM 1058 N ALA A 72 70.757 -6.689 2.412 1.00 1.00 N ATOM 1059 CA ALA A 72 71.466 -7.976 2.655 1.00 1.00 C ATOM 1060 C ALA A 72 72.025 -8.503 1.330 1.00 1.00 C ATOM 1061 O ALA A 72 71.728 -9.606 0.915 1.00 1.00 O ATOM 1062 CB ALA A 72 70.488 -8.997 3.239 1.00 1.00 C ATOM 0 H ALA A 72 69.739 -6.743 2.431 1.00 1.00 H new ATOM 0 HA ALA A 72 72.283 -7.816 3.359 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.008 -9.939 3.416 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.088 -8.620 4.180 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.670 -9.161 2.537 1.00 1.00 H new ATOM 1068 N CYS A 73 72.835 -7.724 0.663 1.00 1.00 N ATOM 1069 CA CYS A 73 73.412 -8.184 -0.633 1.00 1.00 C ATOM 1070 C CYS A 73 74.598 -9.112 -0.356 1.00 1.00 C ATOM 1071 O CYS A 73 75.609 -8.701 0.178 1.00 1.00 O ATOM 1072 CB CYS A 73 73.883 -6.974 -1.446 1.00 1.00 C ATOM 1073 SG CYS A 73 72.487 -5.859 -1.736 1.00 1.00 S ATOM 0 H CYS A 73 73.121 -6.791 0.959 1.00 1.00 H new ATOM 0 HA CYS A 73 72.652 -8.722 -1.200 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.675 -6.450 -0.912 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.303 -7.303 -2.397 1.00 1.00 H new ATOM 0 HG CYS A 73 72.888 -4.831 -2.424 1.00 1.00 H new ATOM 1078 N ASN A 74 74.474 -10.364 -0.704 1.00 1.00 N ATOM 1079 CA ASN A 74 75.585 -11.327 -0.452 1.00 1.00 C ATOM 1080 C ASN A 74 76.619 -11.240 -1.576 1.00 1.00 C ATOM 1081 O ASN A 74 77.578 -11.985 -1.604 1.00 1.00 O ATOM 1082 CB ASN A 74 75.019 -12.748 -0.397 1.00 1.00 C ATOM 1083 CG ASN A 74 74.158 -12.907 0.857 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.607 -12.641 1.955 1.00 1.00 O ATOM 1085 ND2 ASN A 74 72.929 -13.332 0.741 1.00 1.00 N ATOM 0 H ASN A 74 73.649 -10.763 -1.153 1.00 1.00 H new ATOM 0 HA ASN A 74 76.064 -11.080 0.496 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.423 -12.948 -1.288 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.832 -13.474 -0.387 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.346 -13.441 1.571 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.551 -13.555 -0.180 1.00 1.00 H new ATOM 1092 N HIS A 75 76.434 -10.342 -2.505 1.00 1.00 N ATOM 1093 CA HIS A 75 77.413 -10.221 -3.624 1.00 1.00 C ATOM 1094 C HIS A 75 76.929 -9.154 -4.613 1.00 1.00 C ATOM 1095 O HIS A 75 77.545 -8.920 -5.634 1.00 1.00 O ATOM 1096 CB HIS A 75 77.537 -11.577 -4.340 1.00 1.00 C ATOM 1097 CG HIS A 75 78.908 -12.147 -4.103 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.576 -11.992 -2.897 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.751 -12.875 -4.909 1.00 1.00 C ATOM 1100 CE1 HIS A 75 80.764 -12.612 -3.007 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.920 -13.165 -4.212 1.00 1.00 N ATOM 0 H HIS A 75 75.651 -9.689 -2.538 1.00 1.00 H new ATOM 0 HA HIS A 75 78.387 -9.930 -3.230 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.777 -12.266 -3.971 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.363 -11.453 -5.409 1.00 1.00 H new ATOM 0 HD1 HIS A 75 79.229 -11.497 -2.075 1.00 1.00 H new ATOM 0 HD2 HIS A 75 79.539 -13.175 -5.925 1.00 1.00 H new ATOM 0 HE1 HIS A 75 81.501 -12.657 -2.218 1.00 1.00 H new ATOM 1110 N CYS A 76 75.831 -8.507 -4.321 1.00 1.00 N ATOM 1111 CA CYS A 76 75.312 -7.462 -5.249 1.00 1.00 C ATOM 1112 C CYS A 76 74.992 -8.100 -6.603 1.00 1.00 C ATOM 1113 O CYS A 76 75.786 -8.833 -7.158 1.00 1.00 O ATOM 1114 CB CYS A 76 76.371 -6.366 -5.434 1.00 1.00 C ATOM 1115 SG CYS A 76 75.791 -4.830 -4.671 1.00 1.00 S ATOM 0 H CYS A 76 75.273 -8.658 -3.481 1.00 1.00 H new ATOM 0 HA CYS A 76 74.407 -7.021 -4.831 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.313 -6.676 -4.982 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.564 -6.207 -6.495 1.00 1.00 H new ATOM 0 HG CYS A 76 76.689 -3.903 -4.826 1.00 1.00 H new ATOM 1120 N GLU A 77 73.836 -7.829 -7.143 1.00 1.00 N ATOM 1121 CA GLU A 77 73.478 -8.424 -8.461 1.00 1.00 C ATOM 1122 C GLU A 77 74.597 -8.138 -9.464 1.00 1.00 C ATOM 1123 O GLU A 77 74.782 -8.858 -10.425 1.00 1.00 O ATOM 1124 CB GLU A 77 72.167 -7.807 -8.963 1.00 1.00 C ATOM 1125 CG GLU A 77 70.982 -8.579 -8.380 1.00 1.00 C ATOM 1126 CD GLU A 77 70.799 -9.890 -9.148 1.00 1.00 C ATOM 1127 OE1 GLU A 77 70.930 -9.867 -10.360 1.00 1.00 O ATOM 1128 OE2 GLU A 77 70.533 -10.895 -8.509 1.00 1.00 O ATOM 0 H GLU A 77 73.126 -7.224 -6.730 1.00 1.00 H new ATOM 0 HA GLU A 77 73.351 -9.501 -8.354 1.00 1.00 H new ATOM 0 HB2 GLU A 77 72.111 -6.759 -8.670 1.00 1.00 H new ATOM 0 HB3 GLU A 77 72.133 -7.836 -10.052 1.00 1.00 H new ATOM 0 HG2 GLU A 77 71.153 -8.785 -7.323 1.00 1.00 H new ATOM 0 HG3 GLU A 77 70.075 -7.978 -8.445 1.00 1.00 H new ATOM 1135 N LEU A 78 75.347 -7.091 -9.246 1.00 1.00 N ATOM 1136 CA LEU A 78 76.456 -6.756 -10.183 1.00 1.00 C ATOM 1137 C LEU A 78 77.769 -7.311 -9.628 1.00 1.00 C ATOM 1138 O LEU A 78 77.932 -7.468 -8.434 1.00 1.00 O ATOM 1139 CB LEU A 78 76.557 -5.233 -10.322 1.00 1.00 C ATOM 1140 CG LEU A 78 77.687 -4.878 -11.290 1.00 1.00 C ATOM 1141 CD1 LEU A 78 77.387 -5.474 -12.667 1.00 1.00 C ATOM 1142 CD2 LEU A 78 77.797 -3.357 -11.407 1.00 1.00 C ATOM 0 H LEU A 78 75.239 -6.453 -8.458 1.00 1.00 H new ATOM 0 HA LEU A 78 76.261 -7.197 -11.161 1.00 1.00 H new ATOM 0 HB2 LEU A 78 75.613 -4.828 -10.686 1.00 1.00 H new ATOM 0 HB3 LEU A 78 76.744 -4.781 -9.348 1.00 1.00 H new ATOM 0 HG LEU A 78 78.627 -5.284 -10.916 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.192 -5.221 -13.356 1.00 1.00 H new ATOM 0 HD12 LEU A 78 77.307 -6.558 -12.585 1.00 1.00 H new ATOM 0 HD13 LEU A 78 76.447 -5.068 -13.042 1.00 1.00 H new ATOM 0 HD21 LEU A 78 78.602 -3.102 -12.096 1.00 1.00 H new ATOM 0 HD22 LEU A 78 76.857 -2.952 -11.781 1.00 1.00 H new ATOM 0 HD23 LEU A 78 78.011 -2.931 -10.427 1.00 1.00 H new